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28648-19-3 | Isoxazolo[3,4-d]pyrimidine (8CI,9CI)
CAS No: 28648-19-3 Catalog No: AG002VZD MDL No:MFCD28384873
Product Description
Catalog Number:
AG002VZD
Chemical Name:
Isoxazolo[3,4-d]pyrimidine (8CI,9CI)
CAS Number:
28648-19-3
Molecular Formula:
C5H3N3O
Molecular Weight:
121.0968
MDL Number:
MFCD28384873
IUPAC Name:
[1,2]oxazolo[3,4-d]pyrimidine
InChI:
InChI=1S/C5H3N3O/c1-4-2-9-8-5(4)7-3-6-1/h1-3H
InChI Key:
HSPLOBDPVYDNDI-UHFFFAOYSA-N
SMILES:
c1ncc2c(n1)noc2
Properties
Complexity:
108
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
121.028g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
121.099g/mol
Monoisotopic Mass:
121.028g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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